3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-cyclopropyl-4-prop-2-enyl-1,2,4-triazole

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-cyclopropyl-4-prop-2-enyl-1,2,4-triazole Openeye Name: 4-allyl-3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-cyclopropyl-1,2,4-triazole CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-cyclopropyl-4-prop-2-enyl-1,2,4-triazole IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-cyclopropyl-4-prop-2-enyl-1,2,4-triazole Traditional Name: 4-allyl-3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]-5-cyclopropyl-1,2,4-triazole Formula: C17H18BrN3O2S MolecularWeight: 408.31272

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCCO3)C4CC4

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC3=C(C=C2Br)OCCO3)C4CC4

InChI

InChI=1S/C17H18BrN3O2S/c1-2-5-21-16(11-3-4-11)19-20-17(21)24-10-12-8-14-15(9-13(12)18)23-7-6-22-14/h2,8-9,11H,1,3-7,10H2